5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide

C25H27N7O3S2 — CID 58873854

IUPAC5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C
InChIInChI=1S/C25H27N7O3S2/c1-4-31(5-2)37(33,34)25-16(3)9-22(36-25)30-23-24-28-13-21(18-10-19(11-26)35-15-18)32(24)14-20(29-23)17-7-6-8-27-12-17/h7,9-10,13-15,27H,4-6,8,12H2,1-3H3,(H,29,30)
InChIKeyOSOWWLMIFJVOQX-UHFFFAOYSA-N
MW537.67 g/mol
LogP4.38
Rot. Bonds8

About 5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide

5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide (PubChem CID 58873854) has the molecular formula C25H27N7O3S2 and a molecular weight of 537.67 g/mol. Its IUPAC name is 5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide
PubChem CID58873854
Molecular FormulaC25H27N7O3S2
Molecular Weight537.67 g/mol
Exact Mass537.16
IUPAC Name5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C
InChIInChI=1S/C25H27N7O3S2/c1-4-31(5-2)37(33,34)25-16(3)9-22(36-25)30-23-24-28-13-21(18-10-19(11-26)35-15-18)32(24)14-20(29-23)17-7-6-8-27-12-17/h7,9-10,13-15,27H,4-6,8,12H2,1-3H3,(H,29,30)
InChIKeyOSOWWLMIFJVOQX-UHFFFAOYSA-N
XLogP4.38
TPSA128.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.67
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide?
The IUPAC name of 5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide (CID 58873854) is 5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1sc(Nc2nc(C3=CCCNC3)cn3c(-c4coc(C#N)c4)cnc23)cc1C.
What is the InChIKey of 5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide?
The InChIKey is OSOWWLMIFJVOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3S2/c1-4-31(5-2)37(33,34)25-16(3)9-22(36-25)30-23-24-28-13-21(18-10-19(11-26)35-15-18)32(24)14-20(29-23)17-7-6-8-27-12-17/h7,9-10,13-15,27H,4-6,8,12H2,1-3H3,(H,29,30).
What are the key properties of 5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide?
5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide has a molecular weight of 537.67 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-cyanofuran-3-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,N-diethyl-3-methylthiophene-2-sulfonamide is sourced from PubChem (CID 58873854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).